2-chloro-N-(4-methylsulfonylphenyl)pyridine-3-sulfonamide

C12H11ClN2O4S2 — CID 24621363

IUPAC2-chloro-N-(4-methylsulfonylphenyl)pyridine-3-sulfonamide
SMILESCS(=O)(=O)c1ccc(NS(=O)(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C12H11ClN2O4S2/c1-20(16,17)10-6-4-9(5-7-10)15-21(18,19)11-3-2-8-14-12(11)13/h2-8,15H,1H3
InChIKeyXDTFSNKVUYFHDV-UHFFFAOYSA-N
MW346.82 g/mol
LogP1.94
Rot. Bonds4

About 2-chloro-N-(4-methylsulfonylphenyl)pyridine-3-sulfonamide

2-chloro-N-(4-methylsulfonylphenyl)pyridine-3-sulfonamide (PubChem CID 24621363) has the molecular formula C12H11ClN2O4S2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-chloro-N-(4-methylsulfonylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-methylsulfonylphenyl)pyridine-3-sulfonamide
PubChem CID24621363
Molecular FormulaC12H11ClN2O4S2
Molecular Weight346.82 g/mol
Exact Mass345.98
IUPAC Name2-chloro-N-(4-methylsulfonylphenyl)pyridine-3-sulfonamide
SMILESCS(=O)(=O)c1ccc(NS(=O)(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C12H11ClN2O4S2/c1-20(16,17)10-6-4-9(5-7-10)15-21(18,19)11-3-2-8-14-12(11)13/h2-8,15H,1H3
InChIKeyXDTFSNKVUYFHDV-UHFFFAOYSA-N
XLogP1.94
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylsulfonylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(4-methylsulfonylphenyl)pyridine-3-sulfonamide (CID 24621363) is 2-chloro-N-(4-methylsulfonylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(4-methylsulfonylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(4-methylsulfonylphenyl)pyridine-3-sulfonamide is CS(=O)(=O)c1ccc(NS(=O)(=O)c2cccnc2Cl)cc1.
What is the InChIKey of 2-chloro-N-(4-methylsulfonylphenyl)pyridine-3-sulfonamide?
The InChIKey is XDTFSNKVUYFHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4S2/c1-20(16,17)10-6-4-9(5-7-10)15-21(18,19)11-3-2-8-14-12(11)13/h2-8,15H,1H3.
What are the key properties of 2-chloro-N-(4-methylsulfonylphenyl)pyridine-3-sulfonamide?
2-chloro-N-(4-methylsulfonylphenyl)pyridine-3-sulfonamide has a molecular weight of 346.82 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylsulfonylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 24621363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).